(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

C24H16Cl2N2OS — CID 108751443

IUPAC(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H16Cl2N2OS/c25-19-10-6-16(21(26)14-19)9-13-23(29)27-20-11-7-17(8-12-20)22-15-30-24(28-22)18-4-2-1-3-5-18/h1-15H,(H,27,29)/b13-9+
InChIKeyJWXFJDGBTHAXNA-UKTHLTGXSA-N
MW451.38 g/mol
LogP7.44
Rot. Bonds5

About (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (PubChem CID 108751443) has the molecular formula C24H16Cl2N2OS and a molecular weight of 451.38 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
PubChem CID108751443
Molecular FormulaC24H16Cl2N2OS
Molecular Weight451.38 g/mol
Exact Mass450.04
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H16Cl2N2OS/c25-19-10-6-16(21(26)14-19)9-13-23(29)27-20-11-7-17(8-12-20)22-15-30-24(28-22)18-4-2-1-3-5-18/h1-15H,(H,27,29)/b13-9+
InChIKeyJWXFJDGBTHAXNA-UKTHLTGXSA-N
XLogP7.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.38
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108770202
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 5139454
(E)-3-(2,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6079591
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
(E)-3-(4-oxochromen-3-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108727461
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 108748130
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 45426606
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
3-(2,4-dichlorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3638700

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (CID 108751443) is (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The InChIKey is JWXFJDGBTHAXNA-UKTHLTGXSA-N. The full InChI is InChI=1S/C24H16Cl2N2OS/c25-19-10-6-16(21(26)14-19)9-13-23(29)27-20-11-7-17(8-12-20)22-15-30-24(28-22)18-4-2-1-3-5-18/h1-15H,(H,27,29)/b13-9+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide has a molecular weight of 451.38 g/mol, XLogP of 7.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 108751443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).